Melatonin (CAS 73-31-4)

Melatonin

CAS 73-31-4  ·  C13H16N2O2  ·  MW 232.28 g/mol

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Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.
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3D model Melatonin, CAS 73-31-4, molecular formula C13H16N2O2, molar mass 232.28 g/mol

Model views

  • Melatonin (CAS 73-31-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Melatonin (CAS 73-31-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • Melatonin (CAS 73-31-4) – 2D structure, MolGod Viewer
    2D structure

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About Melatonin (CAS 73-31-4)

Melatonin (CAS 73-31-4) is a chemical compound registered under number CAS 73-31-4, with the molecular formula C13H16N2O2, and a molar mass of 232.28 g/mol.

The molecule contains 33 atoms connected by 34 chemical bonds. The full systematic IUPAC name of this compound is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0.8 (positive value, a lipophilic compound), polar surface area PSA = 54.1 Ų, 2 donors and 2 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC13H16N2O2
Molar mass232.28 g/mol
IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
InChIKeyDRLFMBDRBRZALE-UHFFFAOYSA-N
logP (XLogP3)0.8
PSA54.1 Ų
HBD / HBA2 / 2
PubChem CIDCID 896 ↗
Scientific literature

Related literature

9 articles · 6 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Melatonin · 73-31-4 · Melatonine · N-Acetyl-5-methoxytryptamine · N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]acetamide · Circadin · 5-Methoxy-N-acetyltryptamine · Melatol · N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide · Melovine · Melapure · Acetamide, N-[2-(5-methoxy-1H-indol-3-yl)ethyl]- · N-[2-(5-methoxyindol-3-yl)ethyl]acetamide · N-acetyl-5-methoxy-tryptamine · N-(2-(5-Methoxyindol-3-yl)ethyl)acetamide
Data sources
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📜 License & provenanceMolGod_License_1
Melatonin (CAS 73-31-4), C13H16N2O2 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

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Melatonin (CAS 73-31-4), C13H16N2O2 - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Melatonin · 73-31-4
InChIKey
DRLFMBDRBRZALE-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — Melatonin (CAS 73-31-4)
License & provenance record
Melatonin (CAS 73-31-4) →
MolGod molecule record
Melatonin →
Source data
PubChem CID 896 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
be86bd0360830d580676a56fc24f5f45fefe7423ad7f729b56f5607988a0f2f3
MD5 (STL)
accda39bd626a5fb0bc4188a1911a4ec
MolGod Identification Number
MG_661-874-104-87
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
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This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23718956) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 896)
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